2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

C30H36N6O3 — CID 25059763

IUPAC2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C
InChIInChI=1S/C30H36N6O3/c1-7-36(15-14-34(2)3)30(38)33-26-13-12-20(16-24(26)29(37)35(4)5)21-17-23-25(19-32-28(23)31-18-21)22-10-8-9-11-27(22)39-6/h8-13,16-19H,7,14-15H2,1-6H3,(H,31,32)(H,33,38)
InChIKeyGLHKFOXEARQRFX-UHFFFAOYSA-N
MW528.66 g/mol
LogP5.02
Rot. Bonds9

About 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 25059763) has the molecular formula C30H36N6O3 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID25059763
Molecular FormulaC30H36N6O3
Molecular Weight528.66 g/mol
Exact Mass528.28
IUPAC Name2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C
InChIInChI=1S/C30H36N6O3/c1-7-36(15-14-34(2)3)30(38)33-26-13-12-20(16-24(26)29(37)35(4)5)21-17-23-25(19-32-28(23)31-18-21)22-10-8-9-11-27(22)39-6/h8-13,16-19H,7,14-15H2,1-6H3,(H,31,32)(H,33,38)
InChIKeyGLHKFOXEARQRFX-UHFFFAOYSA-N
XLogP5.02
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700275
2-[[2-(2-methoxyethoxy)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700228
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
2-[[2-(cyclopropylamino)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700185
[(Z)-2-hydroxybut-2-enyl] N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
CID 145492438
furan-2-ylmethyl N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
CID 25060286
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)benzamide
CID 25060282
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59700233
ethane;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)benzamide
CID 145492269
N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44555167
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[1-[(1-methylpiperidin-4-yl)amino]ethenylamino]benzamide
CID 89230850
N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
CID 25059759

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 25059763) is 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is CCN(CCN(C)C)C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is GLHKFOXEARQRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O3/c1-7-36(15-14-34(2)3)30(38)33-26-13-12-20(16-24(26)29(37)35(4)5)21-17-23-25(19-32-28(23)31-18-21)22-10-8-9-11-27(22)39-6/h8-13,16-19H,7,14-15H2,1-6H3,(H,31,32)(H,33,38).
What are the key properties of 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 528.66 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 25059763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).